9IOM
CapE apo form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-02-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 89.215, 89.215, 81.090 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.970 - 1.648 |
R-factor | 0.205 |
Rwork | 0.204 |
R-free | 0.22660 |
Structure solution method | AB INITIO PHASING |
RMSD bond length | 0.006 |
RMSD bond angle | 0.830 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.16_3549: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.690 |
High resolution limit [Å] | 1.648 | 4.070 | 1.650 |
Rmerge | 0.087 | 0.066 | 1.113 |
Rmeas | 0.089 | 0.069 | 1.142 |
Rpim | 0.021 | 0.017 | 0.255 |
Number of reflections | 45392 | 3201 | 2977 |
<I/σ(I)> | 6.8 | ||
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 19 | 16 | 19.9 |
CC(1/2) | 0.998 | 0.999 | 0.853 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 0.1 M sodium acetate pH 4.5, 5% (w/v) PEG1000, 50% (v/v) ethylene glycol |